SCHEMBL6161720

SCHEMBL6161720

C1=C[C](Oc2ccccc2)CC(Oc2ccccc2)=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NR1H2 P55055 1/20 0.33
BAX Q07812 1/20 0.33
MAOA P21397 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
AKR1C3 P42330 1/20 0.32
KCNA3 P22001 1/20 0.31
KDM1A O60341 1/20 0.31
MGLL Q99685 1/20 0.31
MAOB P27338 1/20 0.31
TTR P02766 1/20 0.30
FFAR1 O14842 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17414785 0.67 LTA4H (0.42) LTA4HTSHRCA1CA2NR1H2
SCHEMBL12332681 0.65 LTA4H (0.58) LTA4HTSHRCA1CA2NR1H2
Tannin Pyrogallol SCHEMBL14761858 0.64 LTA4H (0.39) LTA4HTSHRCA1CA2HTT
Diphenylether SCHEMBL2461810 0.62 LTA4H (1.00) LTA4HTSHRCA1CA2NR1H2
Diphenylether SCHEMBL4950525 0.62 LTA4H (1.00) LTA4HTSHRCA1CA2NR1H2
Diphenylether SCHEMBL9061108 0.62 LTA4H (1.00) LTA4HTSHRCA1CA2NR1H2
Diphenylether SCHEMBL12286 0.62 LTA4H (1.00) LTA4HTSHRCA1CA2NR1H2
Diphenylether SCHEMBL3336926 0.61 LTA4H (0.60) LTA4HTSHRCA1CA2NR1H2
Diphenylether SCHEMBL10621546 0.60 LTA4H (0.92) LTA4HTSHRCA1CA2NR1H2
Diphenylether SCHEMBL989476 0.60 LTA4H (0.92) LTA4HTSHRCA1CA2NR1H2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842212-B1 IMIDE OLIGOMERS AND CO-OLIGOMERS CONTAINING PENDENT PHENYLETHYNYL GROUPS AND POLYMERS THEREFROM NASA (US) 2005-02-16 EP disclosed
US-5689004-A CONTROLLED MOLECULAR WEIGHT IMIDE OLIGOMERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-11-18 US disclosed
US-5606014-A MOLECULAR WEIGHT CONTROL; CYCLODEHYDRATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-02-25 US disclosed